5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione

C12H17N3O4 — CID 56711352

IUPAC5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCCCC1COCCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-2-3-8-7-19-5-4-15(8)11(17)9-6-13-12(18)14-10(9)16/h6,8H,2-5,7H2,1H3,(H2,13,14,16,18)
InChIKeyVPDIXZHRLGVPKR-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.30
Rot. Bonds3

About 5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione

5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 56711352) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID56711352
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCCCC1COCCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-2-3-8-7-19-5-4-15(8)11(17)9-6-13-12(18)14-10(9)16/h6,8H,2-5,7H2,1H3,(H2,13,14,16,18)
InChIKeyVPDIXZHRLGVPKR-UHFFFAOYSA-N
XLogP-0.30
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione (CID 56711352) is 5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione is CCCC1COCCN1C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is VPDIXZHRLGVPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-3-8-7-19-5-4-15(8)11(17)9-6-13-12(18)14-10(9)16/h6,8H,2-5,7H2,1H3,(H2,13,14,16,18).
What are the key properties of 5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione?
5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 267.28 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56711352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).